N-[(Z)-pyridin-3-ylmethylideneamino]phthalazin-1-amine
Formula:C14H11N5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-pyridin-3-ylmethylideneamino]phthalazin-1-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]phthalazin-1-amine |
| MolecularFormula | C14H11N5 |
| Smiles | C(c1cnccc1)=N\Nc1nncc2ccccc12 |
| InChI | InChI=1S/C14H11N5/c1-2-6-13-12(5-1)10-17-19-14(13)18-16-9-11-4-3-7-15-8-11/h1-10H,(H,18,19) |
| InChIK | MIXMAQPSUHDURM-UHFFFAOYSA-N |
| TotalMolweight | 249.276 |
| Molweight | 249.276 |
| MonoisotopicMass | 249.101445 |
| CLogP | 3.556 |
| CLogS | -3.239 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 200.12 |
| Relative PSA | 0.27923 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-pyridin-3-ylmethylideneamino]phthalazin-1-amine | 2 - N-[(Z)-pyridin-3-ylmethylideneamino]phthalazin-1-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off